USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.913 (180deg=0.323!) USER MOD Single : A 2 MET CE :methyl -179:sc= 0 (180deg=-0.0015) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.6 K(o=-2.6,f=-6.2!) USER MOD Single : A 7 TYR OH : rot -49:sc= -0.455 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -170:sc= -0.343 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.8 K(o=-3.8,f=-4.5) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0.0228 (180deg=0.0209) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -5.25 K(o=-5.3,f=-10!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 176:sc= -3.83! (180deg=-3.9!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.447 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.269 -10.540 -8.286 1.00 0.00 N ATOM 2 CA MET A 1 4.883 -9.199 -8.478 1.00 0.00 C ATOM 3 C MET A 1 3.829 -8.100 -8.429 1.00 0.00 C ATOM 4 O MET A 1 3.476 -7.526 -9.459 1.00 0.00 O ATOM 5 CB MET A 1 5.602 -9.188 -9.829 1.00 0.00 C ATOM 6 CG MET A 1 6.251 -7.855 -10.166 1.00 0.00 C ATOM 7 SD MET A 1 6.385 -7.579 -11.943 1.00 0.00 S ATOM 8 CE MET A 1 4.891 -6.642 -12.253 1.00 0.00 C ATOM 0 H1 MET A 1 4.881 -11.266 -8.711 1.00 0.00 H new ATOM 0 H2 MET A 1 4.161 -10.730 -7.269 1.00 0.00 H new ATOM 0 H3 MET A 1 3.335 -10.563 -8.744 1.00 0.00 H new ATOM 0 HA MET A 1 5.592 -9.006 -7.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.367 -9.965 -9.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.888 -9.443 -10.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.669 -7.049 -9.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.245 -7.816 -9.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.830 -6.395 -13.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.023 -7.237 -11.968 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.909 -5.723 -11.667 1.00 0.00 H new ATOM 20 N MET A 2 3.324 -7.803 -7.231 1.00 0.00 N ATOM 21 CA MET A 2 2.309 -6.765 -7.092 1.00 0.00 C ATOM 22 C MET A 2 2.943 -5.386 -6.903 1.00 0.00 C ATOM 23 O MET A 2 3.619 -5.130 -5.909 1.00 0.00 O ATOM 24 CB MET A 2 1.380 -7.085 -5.921 1.00 0.00 C ATOM 25 CG MET A 2 0.360 -8.168 -6.230 1.00 0.00 C ATOM 26 SD MET A 2 -0.721 -7.735 -7.607 1.00 0.00 S ATOM 27 CE MET A 2 -1.003 -9.346 -8.337 1.00 0.00 C ATOM 0 H MET A 2 3.596 -8.258 -6.360 1.00 0.00 H new ATOM 0 HA MET A 2 1.726 -6.742 -8.013 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.981 -7.397 -5.067 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.855 -6.177 -5.627 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.881 -9.097 -6.461 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.246 -8.355 -5.343 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.642 -9.241 -9.214 1.00 0.00 H new ATOM 0 HE2 MET A 2 -0.049 -9.783 -8.633 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.490 -9.995 -7.609 1.00 0.00 H new ATOM 37 N LYS A 3 2.711 -4.496 -7.862 1.00 0.00 N ATOM 38 CA LYS A 3 3.249 -3.140 -7.792 1.00 0.00 C ATOM 39 C LYS A 3 2.527 -2.344 -6.715 1.00 0.00 C ATOM 40 O LYS A 3 1.379 -1.935 -6.892 1.00 0.00 O ATOM 41 CB LYS A 3 3.108 -2.439 -9.145 1.00 0.00 C ATOM 42 CG LYS A 3 1.725 -2.577 -9.761 1.00 0.00 C ATOM 43 CD LYS A 3 1.394 -1.395 -10.658 1.00 0.00 C ATOM 44 CE LYS A 3 2.126 -1.483 -11.988 1.00 0.00 C ATOM 45 NZ LYS A 3 1.476 -0.649 -13.036 1.00 0.00 N ATOM 0 H LYS A 3 2.155 -4.687 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 3 4.307 -3.200 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.338 -1.381 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.846 -2.847 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.674 -3.500 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.979 -2.655 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.319 -1.361 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.664 -0.467 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.159 -1.160 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.156 -2.522 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.005 -0.737 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.498 -0.973 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.470 0.346 -12.733 1.00 0.00 H new ATOM 59 N ILE A 4 3.198 -2.140 -5.588 1.00 0.00 N ATOM 60 CA ILE A 4 2.612 -1.409 -4.474 1.00 0.00 C ATOM 61 C ILE A 4 3.313 -0.077 -4.239 1.00 0.00 C ATOM 62 O ILE A 4 4.513 -0.023 -3.976 1.00 0.00 O ATOM 63 CB ILE A 4 2.649 -2.251 -3.186 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.776 -3.492 -3.353 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.196 -1.433 -1.987 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.569 -4.767 -3.432 1.00 0.00 C ATOM 0 H ILE A 4 4.148 -2.471 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 4 1.574 -1.204 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 4 3.677 -2.564 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.081 -3.555 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.177 -3.388 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.232 -2.052 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.856 -0.574 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.175 -1.086 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.890 -5.611 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.245 -4.723 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.148 -4.893 -2.517 1.00 0.00 H new ATOM 78 N GLN A 5 2.538 0.994 -4.331 1.00 0.00 N ATOM 79 CA GLN A 5 3.054 2.346 -4.126 1.00 0.00 C ATOM 80 C GLN A 5 2.486 2.956 -2.846 1.00 0.00 C ATOM 81 O GLN A 5 1.275 2.920 -2.621 1.00 0.00 O ATOM 82 CB GLN A 5 2.714 3.239 -5.326 1.00 0.00 C ATOM 83 CG GLN A 5 1.465 2.813 -6.082 1.00 0.00 C ATOM 84 CD GLN A 5 1.724 1.659 -7.032 1.00 0.00 C ATOM 85 OE1 GLN A 5 2.730 0.958 -6.915 1.00 0.00 O ATOM 86 NE2 GLN A 5 0.817 1.457 -7.979 1.00 0.00 N ATOM 0 H GLN A 5 1.542 0.955 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 5 4.138 2.281 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.583 4.263 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.559 3.242 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.693 2.525 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.078 3.662 -6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.002 2.063 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.938 0.696 -8.647 1.00 0.00 H new ATOM 95 N ILE A 6 3.360 3.521 -2.008 1.00 0.00 N ATOM 96 CA ILE A 6 2.919 4.135 -0.759 1.00 0.00 C ATOM 97 C ILE A 6 3.079 5.650 -0.806 1.00 0.00 C ATOM 98 O ILE A 6 4.194 6.164 -0.891 1.00 0.00 O ATOM 99 CB ILE A 6 3.701 3.585 0.450 1.00 0.00 C ATOM 100 CG1 ILE A 6 5.202 3.574 0.157 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.211 2.187 0.808 1.00 0.00 C ATOM 102 CD1 ILE A 6 6.042 3.103 1.324 1.00 0.00 C ATOM 0 H ILE A 6 4.366 3.565 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 6 1.865 3.885 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 6 3.525 4.239 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.392 2.929 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.516 4.579 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.773 1.812 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.151 2.226 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.358 1.521 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.095 3.121 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.881 3.762 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.755 2.086 1.592 1.00 0.00 H new ATOM 114 N TYR A 7 1.957 6.364 -0.753 1.00 0.00 N ATOM 115 CA TYR A 7 1.979 7.820 -0.795 1.00 0.00 C ATOM 116 C TYR A 7 1.854 8.411 0.604 1.00 0.00 C ATOM 117 O TYR A 7 0.784 8.381 1.211 1.00 0.00 O ATOM 118 CB TYR A 7 0.854 8.334 -1.694 1.00 0.00 C ATOM 119 CG TYR A 7 0.912 7.789 -3.110 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.707 8.381 -4.090 1.00 0.00 C ATOM 121 CD2 TYR A 7 0.160 6.678 -3.467 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.742 7.876 -5.376 1.00 0.00 C ATOM 123 CE2 TYR A 7 0.195 6.167 -4.747 1.00 0.00 C ATOM 124 CZ TYR A 7 0.987 6.770 -5.699 1.00 0.00 C ATOM 125 OH TYR A 7 1.022 6.268 -6.979 1.00 0.00 O ATOM 0 H TYR A 7 1.024 5.957 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 7 2.937 8.137 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.105 8.068 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.897 9.423 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.304 9.246 -3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.466 6.204 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.360 8.347 -6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.395 5.299 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 7 0.893 6.998 -7.620 1.00 0.00 H new ATOM 135 N GLY A 8 2.962 8.947 1.110 1.00 0.00 N ATOM 136 CA GLY A 8 2.966 9.539 2.434 1.00 0.00 C ATOM 137 C GLY A 8 4.347 9.998 2.860 1.00 0.00 C ATOM 138 O GLY A 8 4.852 11.009 2.371 1.00 0.00 O ATOM 0 H GLY A 8 3.858 8.981 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.283 10.388 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.590 8.813 3.154 1.00 0.00 H new ATOM 142 N THR A 9 4.960 9.251 3.774 1.00 0.00 N ATOM 143 CA THR A 9 6.291 9.581 4.269 1.00 0.00 C ATOM 144 C THR A 9 6.266 10.856 5.104 1.00 0.00 C ATOM 145 O THR A 9 6.469 11.954 4.585 1.00 0.00 O ATOM 146 CB THR A 9 7.296 9.754 3.116 1.00 0.00 C ATOM 147 OG1 THR A 9 7.000 8.830 2.061 1.00 0.00 O ATOM 148 CG2 THR A 9 8.722 9.535 3.603 1.00 0.00 C ATOM 0 H THR A 9 4.554 8.411 4.187 1.00 0.00 H new ATOM 0 HA THR A 9 6.610 8.747 4.894 1.00 0.00 H new ATOM 0 HB THR A 9 7.209 10.773 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.644 8.949 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.414 9.662 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.955 10.259 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.819 8.526 4.004 1.00 0.00 H new ATOM 156 N GLY A 10 6.016 10.704 6.400 1.00 0.00 N ATOM 157 CA GLY A 10 5.969 11.850 7.288 1.00 0.00 C ATOM 158 C GLY A 10 4.750 11.837 8.189 1.00 0.00 C ATOM 159 O GLY A 10 4.854 11.550 9.381 1.00 0.00 O ATOM 0 H GLY A 10 5.845 9.806 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.870 11.867 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.969 12.765 6.695 1.00 0.00 H new ATOM 163 N CYS A 11 3.591 12.151 7.618 1.00 0.00 N ATOM 164 CA CYS A 11 2.346 12.174 8.376 1.00 0.00 C ATOM 165 C CYS A 11 1.468 10.978 8.026 1.00 0.00 C ATOM 166 O CYS A 11 0.656 10.533 8.837 1.00 0.00 O ATOM 167 CB CYS A 11 1.586 13.475 8.107 1.00 0.00 C ATOM 168 SG CYS A 11 2.561 14.972 8.385 1.00 0.00 S ATOM 0 H CYS A 11 3.489 12.393 6.632 1.00 0.00 H new ATOM 0 HA CYS A 11 2.596 12.117 9.435 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.234 13.470 7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.703 13.506 8.745 1.00 0.00 H new ATOM 0 HG CYS A 11 1.833 16.018 8.129 1.00 0.00 H new ATOM 174 N ALA A 12 1.633 10.463 6.812 1.00 0.00 N ATOM 175 CA ALA A 12 0.851 9.321 6.354 1.00 0.00 C ATOM 176 C ALA A 12 1.356 8.019 6.972 1.00 0.00 C ATOM 177 O ALA A 12 2.545 7.709 6.909 1.00 0.00 O ATOM 178 CB ALA A 12 0.881 9.238 4.834 1.00 0.00 C ATOM 0 H ALA A 12 2.301 10.818 6.128 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.179 9.465 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.293 8.381 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.460 10.150 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.911 9.123 4.496 1.00 0.00 H new ATOM 184 N ASN A 13 0.438 7.263 7.568 1.00 0.00 N ATOM 185 CA ASN A 13 0.771 5.989 8.205 1.00 0.00 C ATOM 186 C ASN A 13 0.978 4.866 7.181 1.00 0.00 C ATOM 187 O ASN A 13 0.886 3.689 7.527 1.00 0.00 O ATOM 188 CB ASN A 13 -0.330 5.593 9.190 1.00 0.00 C ATOM 189 CG ASN A 13 -0.565 6.652 10.249 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.156 6.721 11.244 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.579 7.483 10.040 1.00 0.00 N ATOM 0 H ASN A 13 -0.550 7.512 7.624 1.00 0.00 H new ATOM 0 HA ASN A 13 1.712 6.128 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.257 5.417 8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.061 4.653 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.786 8.216 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.151 7.389 9.201 1.00 0.00 H new ATOM 198 N CYS A 14 1.256 5.226 5.928 1.00 0.00 N ATOM 199 CA CYS A 14 1.469 4.227 4.875 1.00 0.00 C ATOM 200 C CYS A 14 2.509 3.193 5.300 1.00 0.00 C ATOM 201 O CYS A 14 2.508 2.060 4.820 1.00 0.00 O ATOM 202 CB CYS A 14 1.913 4.898 3.571 1.00 0.00 C ATOM 203 SG CYS A 14 3.148 6.199 3.788 1.00 0.00 S ATOM 0 H CYS A 14 1.339 6.194 5.617 1.00 0.00 H new ATOM 0 HA CYS A 14 0.519 3.719 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.317 4.137 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.038 5.322 3.078 1.00 0.00 H new ATOM 0 HG CYS A 14 3.302 6.842 2.669 1.00 0.00 H new ATOM 209 N GLN A 15 3.392 3.595 6.206 1.00 0.00 N ATOM 210 CA GLN A 15 4.442 2.723 6.710 1.00 0.00 C ATOM 211 C GLN A 15 3.859 1.427 7.279 1.00 0.00 C ATOM 212 O GLN A 15 4.453 0.357 7.146 1.00 0.00 O ATOM 213 CB GLN A 15 5.245 3.485 7.772 1.00 0.00 C ATOM 214 CG GLN A 15 5.231 2.852 9.158 1.00 0.00 C ATOM 215 CD GLN A 15 5.821 3.759 10.219 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.914 3.509 10.729 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.098 4.820 10.559 1.00 0.00 N ATOM 0 H GLN A 15 3.399 4.532 6.610 1.00 0.00 H new ATOM 0 HA GLN A 15 5.103 2.438 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.279 3.568 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.852 4.499 7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.205 2.602 9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.791 1.917 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.198 4.989 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.443 5.466 11.269 1.00 0.00 H new ATOM 226 N MET A 16 2.695 1.534 7.913 1.00 0.00 N ATOM 227 CA MET A 16 2.038 0.373 8.503 1.00 0.00 C ATOM 228 C MET A 16 1.651 -0.637 7.428 1.00 0.00 C ATOM 229 O MET A 16 1.985 -1.818 7.524 1.00 0.00 O ATOM 230 CB MET A 16 0.799 0.805 9.288 1.00 0.00 C ATOM 231 CG MET A 16 1.074 1.082 10.757 1.00 0.00 C ATOM 232 SD MET A 16 1.822 2.700 11.030 1.00 0.00 S ATOM 233 CE MET A 16 3.085 2.292 12.233 1.00 0.00 C ATOM 0 H MET A 16 2.188 2.411 8.031 1.00 0.00 H new ATOM 0 HA MET A 16 2.741 -0.104 9.186 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.384 1.702 8.829 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.040 0.026 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.140 1.019 11.316 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.734 0.309 11.151 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.636 3.193 12.502 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.617 1.873 13.124 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.772 1.561 11.806 1.00 0.00 H new ATOM 243 N LEU A 17 0.953 -0.165 6.401 1.00 0.00 N ATOM 244 CA LEU A 17 0.530 -1.028 5.303 1.00 0.00 C ATOM 245 C LEU A 17 1.733 -1.478 4.482 1.00 0.00 C ATOM 246 O LEU A 17 1.681 -2.490 3.784 1.00 0.00 O ATOM 247 CB LEU A 17 -0.469 -0.294 4.404 1.00 0.00 C ATOM 248 CG LEU A 17 -1.585 -1.160 3.813 1.00 0.00 C ATOM 249 CD1 LEU A 17 -1.040 -2.051 2.709 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.256 -1.997 4.895 1.00 0.00 C ATOM 0 H LEU A 17 0.668 0.810 6.305 1.00 0.00 H new ATOM 0 HA LEU A 17 0.046 -1.908 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.925 0.512 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.079 0.170 3.584 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.337 -0.498 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.847 -2.659 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.616 -1.432 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.265 -2.701 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.045 -2.603 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.517 -2.649 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.687 -1.339 5.650 1.00 0.00 H new ATOM 262 N GLU A 18 2.816 -0.713 4.572 1.00 0.00 N ATOM 263 CA GLU A 18 4.041 -1.042 3.825 1.00 0.00 C ATOM 264 C GLU A 18 4.573 -2.408 4.244 1.00 0.00 C ATOM 265 O GLU A 18 4.786 -3.284 3.407 1.00 0.00 O ATOM 266 CB GLU A 18 5.148 0.017 4.006 1.00 0.00 C ATOM 267 CG GLU A 18 6.412 -0.299 3.223 1.00 0.00 C ATOM 268 CD GLU A 18 6.245 -0.081 1.731 1.00 0.00 C ATOM 269 OE1 GLU A 18 5.194 -0.481 1.186 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.165 0.488 1.107 1.00 0.00 O ATOM 0 H GLU A 18 2.879 0.129 5.144 1.00 0.00 H new ATOM 0 HA GLU A 18 3.766 -1.058 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.767 0.989 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.395 0.098 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.227 0.326 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.698 -1.335 3.405 1.00 0.00 H new ATOM 277 N LYS A 19 4.784 -2.585 5.544 1.00 0.00 N ATOM 278 CA LYS A 19 5.290 -3.849 6.070 1.00 0.00 C ATOM 279 C LYS A 19 4.251 -4.954 5.912 1.00 0.00 C ATOM 280 O LYS A 19 4.556 -6.044 5.429 1.00 0.00 O ATOM 281 CB LYS A 19 5.674 -3.700 7.543 1.00 0.00 C ATOM 282 CG LYS A 19 6.433 -4.897 8.096 1.00 0.00 C ATOM 283 CD LYS A 19 7.913 -4.822 7.758 1.00 0.00 C ATOM 284 CE LYS A 19 8.479 -6.193 7.423 1.00 0.00 C ATOM 285 NZ LYS A 19 9.425 -6.136 6.274 1.00 0.00 N ATOM 0 H LYS A 19 4.613 -1.871 6.252 1.00 0.00 H new ATOM 0 HA LYS A 19 6.178 -4.122 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.285 -2.805 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.770 -3.549 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.307 -4.941 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.012 -5.816 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.060 -4.150 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.459 -4.398 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.991 -6.598 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.662 -6.876 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.789 -7.090 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.930 -5.774 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.218 -5.504 6.508 1.00 0.00 H new ATOM 299 N ASN A 20 3.021 -4.661 6.323 1.00 0.00 N ATOM 300 CA ASN A 20 1.927 -5.627 6.228 1.00 0.00 C ATOM 301 C ASN A 20 1.770 -6.130 4.796 1.00 0.00 C ATOM 302 O ASN A 20 1.697 -7.334 4.552 1.00 0.00 O ATOM 303 CB ASN A 20 0.615 -4.996 6.703 1.00 0.00 C ATOM 304 CG ASN A 20 0.777 -4.222 7.997 1.00 0.00 C ATOM 305 OD1 ASN A 20 1.710 -4.460 8.763 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.132 -3.287 8.246 1.00 0.00 N ATOM 0 H ASN A 20 2.755 -3.762 6.726 1.00 0.00 H new ATOM 0 HA ASN A 20 2.168 -6.474 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.236 -4.328 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.131 -5.778 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.073 -2.733 9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.890 -3.123 7.583 1.00 0.00 H new ATOM 313 N ALA A 21 1.711 -5.197 3.854 1.00 0.00 N ATOM 314 CA ALA A 21 1.557 -5.537 2.445 1.00 0.00 C ATOM 315 C ALA A 21 2.692 -6.430 1.950 1.00 0.00 C ATOM 316 O ALA A 21 2.463 -7.371 1.192 1.00 0.00 O ATOM 317 CB ALA A 21 1.486 -4.269 1.611 1.00 0.00 C ATOM 0 H ALA A 21 1.768 -4.196 4.041 1.00 0.00 H new ATOM 0 HA ALA A 21 0.628 -6.096 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.371 -4.531 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.633 -3.670 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.403 -3.695 1.743 1.00 0.00 H new ATOM 323 N ARG A 22 3.916 -6.125 2.368 1.00 0.00 N ATOM 324 CA ARG A 22 5.082 -6.897 1.953 1.00 0.00 C ATOM 325 C ARG A 22 4.935 -8.368 2.324 1.00 0.00 C ATOM 326 O ARG A 22 5.212 -9.252 1.514 1.00 0.00 O ATOM 327 CB ARG A 22 6.353 -6.323 2.591 1.00 0.00 C ATOM 328 CG ARG A 22 6.889 -5.091 1.879 1.00 0.00 C ATOM 329 CD ARG A 22 7.601 -4.157 2.843 1.00 0.00 C ATOM 330 NE ARG A 22 9.053 -4.324 2.799 1.00 0.00 N ATOM 331 CZ ARG A 22 9.903 -3.618 3.540 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.453 -2.698 4.384 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.207 -3.833 3.436 1.00 0.00 N ATOM 0 H ARG A 22 4.127 -5.348 2.994 1.00 0.00 H new ATOM 0 HA ARG A 22 5.159 -6.826 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.145 -6.070 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.125 -7.092 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.577 -5.396 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.067 -4.561 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.348 -3.125 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.246 -4.343 3.857 1.00 0.00 H new ATOM 0 HE ARG A 22 9.437 -5.023 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.451 -2.529 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.110 -2.160 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.557 -4.539 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.860 -3.292 4.003 1.00 0.00 H new ATOM 347 N GLU A 23 4.512 -8.625 3.555 1.00 0.00 N ATOM 348 CA GLU A 23 4.348 -9.994 4.028 1.00 0.00 C ATOM 349 C GLU A 23 3.133 -10.665 3.393 1.00 0.00 C ATOM 350 O GLU A 23 3.235 -11.773 2.875 1.00 0.00 O ATOM 351 CB GLU A 23 4.231 -10.025 5.555 1.00 0.00 C ATOM 352 CG GLU A 23 3.156 -9.106 6.114 1.00 0.00 C ATOM 353 CD GLU A 23 3.109 -9.120 7.629 1.00 0.00 C ATOM 354 OE1 GLU A 23 2.776 -10.177 8.204 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.409 -8.073 8.242 1.00 0.00 O ATOM 0 H GLU A 23 4.277 -7.908 4.241 1.00 0.00 H new ATOM 0 HA GLU A 23 5.235 -10.553 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.021 -11.047 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.192 -9.748 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.338 -8.088 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.185 -9.407 5.721 1.00 0.00 H new ATOM 362 N ALA A 24 1.987 -9.996 3.440 1.00 0.00 N ATOM 363 CA ALA A 24 0.760 -10.547 2.872 1.00 0.00 C ATOM 364 C ALA A 24 0.872 -10.755 1.367 1.00 0.00 C ATOM 365 O ALA A 24 0.543 -11.826 0.860 1.00 0.00 O ATOM 366 CB ALA A 24 -0.421 -9.645 3.195 1.00 0.00 C ATOM 0 H ALA A 24 1.881 -9.074 3.864 1.00 0.00 H new ATOM 0 HA ALA A 24 0.599 -11.525 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.330 -10.067 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.533 -9.566 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.248 -8.654 2.775 1.00 0.00 H new ATOM 372 N VAL A 25 1.328 -9.733 0.653 1.00 0.00 N ATOM 373 CA VAL A 25 1.465 -9.824 -0.795 1.00 0.00 C ATOM 374 C VAL A 25 2.299 -11.048 -1.189 1.00 0.00 C ATOM 375 O VAL A 25 1.846 -11.893 -1.960 1.00 0.00 O ATOM 376 CB VAL A 25 2.072 -8.518 -1.392 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.583 -8.452 -1.209 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.701 -8.392 -2.859 1.00 0.00 C ATOM 0 H VAL A 25 1.608 -8.836 1.050 1.00 0.00 H new ATOM 0 HA VAL A 25 0.467 -9.945 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 25 1.648 -7.676 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.962 -7.525 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.822 -8.482 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.048 -9.301 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.130 -7.476 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.090 -9.250 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.616 -8.359 -2.958 1.00 0.00 H new ATOM 388 N LYS A 26 3.508 -11.148 -0.645 1.00 0.00 N ATOM 389 CA LYS A 26 4.388 -12.275 -0.930 1.00 0.00 C ATOM 390 C LYS A 26 3.855 -13.567 -0.304 1.00 0.00 C ATOM 391 O LYS A 26 3.852 -14.618 -0.945 1.00 0.00 O ATOM 392 CB LYS A 26 5.802 -11.987 -0.412 1.00 0.00 C ATOM 393 CG LYS A 26 6.882 -12.150 -1.469 1.00 0.00 C ATOM 394 CD LYS A 26 8.154 -12.738 -0.880 1.00 0.00 C ATOM 395 CE LYS A 26 9.189 -11.659 -0.600 1.00 0.00 C ATOM 396 NZ LYS A 26 10.558 -12.084 -1.005 1.00 0.00 N ATOM 0 H LYS A 26 3.901 -10.460 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 26 4.422 -12.409 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.837 -10.970 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.018 -12.655 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.517 -12.796 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.102 -11.182 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.918 -13.266 0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.570 -13.473 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.918 -10.749 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.183 -11.418 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.243 -11.349 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.800 -12.975 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.587 -12.224 -2.035 1.00 0.00 H new ATOM 410 N GLU A 27 3.409 -13.484 0.952 1.00 0.00 N ATOM 411 CA GLU A 27 2.882 -14.655 1.656 1.00 0.00 C ATOM 412 C GLU A 27 1.729 -15.286 0.886 1.00 0.00 C ATOM 413 O GLU A 27 1.675 -16.506 0.725 1.00 0.00 O ATOM 414 CB GLU A 27 2.421 -14.278 3.065 1.00 0.00 C ATOM 415 CG GLU A 27 1.885 -15.455 3.865 1.00 0.00 C ATOM 416 CD GLU A 27 0.613 -15.119 4.618 1.00 0.00 C ATOM 417 OE1 GLU A 27 -0.280 -14.480 4.022 1.00 0.00 O ATOM 418 OE2 GLU A 27 0.509 -15.493 5.805 1.00 0.00 O ATOM 0 H GLU A 27 3.402 -12.623 1.499 1.00 0.00 H new ATOM 0 HA GLU A 27 3.688 -15.385 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.257 -13.833 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.646 -13.515 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.694 -16.290 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.645 -15.784 4.573 1.00 0.00 H new ATOM 425 N LEU A 28 0.812 -14.452 0.403 1.00 0.00 N ATOM 426 CA LEU A 28 -0.333 -14.941 -0.361 1.00 0.00 C ATOM 427 C LEU A 28 0.129 -15.842 -1.503 1.00 0.00 C ATOM 428 O LEU A 28 -0.635 -16.665 -2.008 1.00 0.00 O ATOM 429 CB LEU A 28 -1.148 -13.768 -0.915 1.00 0.00 C ATOM 430 CG LEU A 28 -2.575 -13.662 -0.374 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.350 -14.939 -0.660 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.558 -13.370 1.119 1.00 0.00 C ATOM 0 H LEU A 28 0.838 -13.440 0.526 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.966 -15.523 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.621 -12.841 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.192 -13.856 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.075 -12.836 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.363 -14.845 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.391 -15.106 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.852 -15.782 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.581 -13.298 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.040 -14.175 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.040 -12.428 1.300 1.00 0.00 H new ATOM 444 N GLY A 29 1.387 -15.678 -1.903 1.00 0.00 N ATOM 445 CA GLY A 29 1.937 -16.480 -2.979 1.00 0.00 C ATOM 446 C GLY A 29 2.264 -15.654 -4.205 1.00 0.00 C ATOM 447 O GLY A 29 2.129 -16.125 -5.334 1.00 0.00 O ATOM 0 H GLY A 29 2.036 -15.002 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.840 -16.981 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.224 -17.259 -3.249 1.00 0.00 H new ATOM 451 N ILE A 30 2.700 -14.419 -3.983 1.00 0.00 N ATOM 452 CA ILE A 30 3.052 -13.524 -5.080 1.00 0.00 C ATOM 453 C ILE A 30 3.904 -12.357 -4.591 1.00 0.00 C ATOM 454 O ILE A 30 3.451 -11.533 -3.797 1.00 0.00 O ATOM 455 CB ILE A 30 1.798 -12.963 -5.782 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.748 -12.542 -4.751 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.222 -13.991 -6.744 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.498 -11.946 -5.369 1.00 0.00 C ATOM 0 H ILE A 30 2.818 -14.015 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 30 3.624 -14.118 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 30 2.088 -12.082 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.468 -13.410 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.190 -11.815 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.338 -13.579 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.968 -14.241 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.947 -14.891 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.199 -11.670 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.231 -11.059 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.963 -12.679 -6.028 1.00 0.00 H new ATOM 470 N ASP A 31 5.135 -12.286 -5.085 1.00 0.00 N ATOM 471 CA ASP A 31 6.048 -11.219 -4.716 1.00 0.00 C ATOM 472 C ASP A 31 5.475 -9.873 -5.129 1.00 0.00 C ATOM 473 O ASP A 31 4.534 -9.806 -5.915 1.00 0.00 O ATOM 474 CB ASP A 31 7.414 -11.433 -5.371 1.00 0.00 C ATOM 475 CG ASP A 31 8.562 -11.124 -4.431 1.00 0.00 C ATOM 476 OD1 ASP A 31 9.002 -9.955 -4.395 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.022 -12.050 -3.731 1.00 0.00 O ATOM 0 H ASP A 31 5.522 -12.960 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 31 6.176 -11.231 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.493 -12.466 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.492 -10.801 -6.256 1.00 0.00 H new ATOM 482 N ALA A 32 6.035 -8.804 -4.588 1.00 0.00 N ATOM 483 CA ALA A 32 5.578 -7.473 -4.898 1.00 0.00 C ATOM 484 C ALA A 32 6.726 -6.500 -4.763 1.00 0.00 C ATOM 485 O ALA A 32 7.736 -6.804 -4.127 1.00 0.00 O ATOM 486 CB ALA A 32 4.427 -7.088 -3.987 1.00 0.00 C ATOM 0 H ALA A 32 6.812 -8.840 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 32 5.216 -7.443 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.091 -6.080 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.604 -7.789 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.759 -7.118 -2.949 1.00 0.00 H new ATOM 492 N GLU A 33 6.577 -5.332 -5.353 1.00 0.00 N ATOM 493 CA GLU A 33 7.618 -4.330 -5.277 1.00 0.00 C ATOM 494 C GLU A 33 7.069 -3.066 -4.646 1.00 0.00 C ATOM 495 O GLU A 33 6.219 -2.389 -5.226 1.00 0.00 O ATOM 496 CB GLU A 33 8.193 -4.027 -6.662 1.00 0.00 C ATOM 497 CG GLU A 33 7.164 -4.080 -7.780 1.00 0.00 C ATOM 498 CD GLU A 33 7.115 -5.433 -8.464 1.00 0.00 C ATOM 499 OE1 GLU A 33 6.613 -6.393 -7.843 1.00 0.00 O ATOM 500 OE2 GLU A 33 7.581 -5.531 -9.618 1.00 0.00 O ATOM 0 H GLU A 33 5.752 -5.055 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 33 8.426 -4.719 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.649 -3.037 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.988 -4.740 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.180 -3.846 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.395 -3.312 -8.518 1.00 0.00 H new ATOM 507 N PHE A 34 7.536 -2.762 -3.447 1.00 0.00 N ATOM 508 CA PHE A 34 7.061 -1.591 -2.736 1.00 0.00 C ATOM 509 C PHE A 34 8.000 -0.410 -2.893 1.00 0.00 C ATOM 510 O PHE A 34 9.094 -0.379 -2.329 1.00 0.00 O ATOM 511 CB PHE A 34 6.860 -1.927 -1.263 1.00 0.00 C ATOM 512 CG PHE A 34 5.921 -3.079 -1.061 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.365 -4.386 -1.195 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.589 -2.857 -0.757 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.497 -5.446 -1.026 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.719 -3.913 -0.586 1.00 0.00 C ATOM 517 CZ PHE A 34 4.171 -5.208 -0.722 1.00 0.00 C ATOM 0 H PHE A 34 8.240 -3.307 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 34 6.106 -1.299 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.824 -2.165 -0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.473 -1.051 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.401 -4.577 -1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.227 -1.845 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.854 -6.460 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.683 -3.725 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.489 -6.035 -0.591 1.00 0.00 H new ATOM 527 N GLU A 35 7.540 0.571 -3.655 1.00 0.00 N ATOM 528 CA GLU A 35 8.299 1.786 -3.894 1.00 0.00 C ATOM 529 C GLU A 35 7.530 2.981 -3.347 1.00 0.00 C ATOM 530 O GLU A 35 6.324 3.101 -3.563 1.00 0.00 O ATOM 531 CB GLU A 35 8.566 1.967 -5.391 1.00 0.00 C ATOM 532 CG GLU A 35 10.043 1.965 -5.749 1.00 0.00 C ATOM 533 CD GLU A 35 10.613 0.565 -5.873 1.00 0.00 C ATOM 534 OE1 GLU A 35 10.376 -0.082 -6.913 1.00 0.00 O ATOM 535 OE2 GLU A 35 11.294 0.117 -4.927 1.00 0.00 O ATOM 0 H GLU A 35 6.634 0.546 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 35 9.259 1.711 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.066 1.169 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.122 2.907 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.185 2.496 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.598 2.513 -4.987 1.00 0.00 H new ATOM 542 N LYS A 36 8.220 3.854 -2.626 1.00 0.00 N ATOM 543 CA LYS A 36 7.572 5.023 -2.050 1.00 0.00 C ATOM 544 C LYS A 36 7.412 6.125 -3.087 1.00 0.00 C ATOM 545 O LYS A 36 8.192 6.223 -4.035 1.00 0.00 O ATOM 546 CB LYS A 36 8.353 5.537 -0.844 1.00 0.00 C ATOM 547 CG LYS A 36 8.915 4.428 0.033 1.00 0.00 C ATOM 548 CD LYS A 36 10.430 4.331 -0.085 1.00 0.00 C ATOM 549 CE LYS A 36 10.870 2.931 -0.484 1.00 0.00 C ATOM 550 NZ LYS A 36 12.291 2.672 -0.125 1.00 0.00 N ATOM 0 H LYS A 36 9.218 3.776 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 36 6.579 4.722 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.173 6.164 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.701 6.170 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.642 4.612 1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.466 3.476 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.785 5.049 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.888 4.600 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.232 2.196 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.738 2.801 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.552 1.707 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.903 3.357 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.413 2.771 0.903 1.00 0.00 H new ATOM 564 N ILE A 37 6.382 6.940 -2.906 1.00 0.00 N ATOM 565 CA ILE A 37 6.089 8.031 -3.829 1.00 0.00 C ATOM 566 C ILE A 37 5.978 9.356 -3.080 1.00 0.00 C ATOM 567 O ILE A 37 4.902 9.724 -2.611 1.00 0.00 O ATOM 568 CB ILE A 37 4.771 7.773 -4.603 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.128 6.447 -4.159 1.00 0.00 C ATOM 570 CG2 ILE A 37 5.020 7.767 -6.103 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.830 5.221 -4.703 1.00 0.00 C ATOM 0 H ILE A 37 5.731 6.866 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 37 6.913 8.084 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 37 4.080 8.584 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.126 6.401 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.087 6.432 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.082 7.584 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.424 8.732 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.733 6.980 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.322 4.324 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.810 5.243 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.864 5.212 -4.360 1.00 0.00 H new ATOM 583 N LYS A 38 7.097 10.068 -2.966 1.00 0.00 N ATOM 584 CA LYS A 38 7.113 11.347 -2.266 1.00 0.00 C ATOM 585 C LYS A 38 6.821 12.502 -3.219 1.00 0.00 C ATOM 586 O LYS A 38 7.721 13.247 -3.606 1.00 0.00 O ATOM 587 CB LYS A 38 8.464 11.563 -1.581 1.00 0.00 C ATOM 588 CG LYS A 38 9.654 11.413 -2.516 1.00 0.00 C ATOM 589 CD LYS A 38 10.836 12.252 -2.051 1.00 0.00 C ATOM 590 CE LYS A 38 12.136 11.468 -2.112 1.00 0.00 C ATOM 591 NZ LYS A 38 13.043 11.807 -0.981 1.00 0.00 N ATOM 0 H LYS A 38 7.999 9.782 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 38 6.329 11.323 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.483 12.560 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.564 10.851 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.948 10.365 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.367 11.713 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.918 13.143 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.663 12.592 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.917 10.400 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.640 11.674 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.918 11.251 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.273 12.821 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.572 11.586 -0.080 1.00 0.00 H new ATOM 605 N GLU A 39 5.551 12.646 -3.586 1.00 0.00 N ATOM 606 CA GLU A 39 5.119 13.716 -4.492 1.00 0.00 C ATOM 607 C GLU A 39 3.647 13.553 -4.865 1.00 0.00 C ATOM 608 O GLU A 39 3.254 12.522 -5.410 1.00 0.00 O ATOM 609 CB GLU A 39 5.978 13.729 -5.762 1.00 0.00 C ATOM 610 CG GLU A 39 6.534 15.101 -6.105 1.00 0.00 C ATOM 611 CD GLU A 39 7.559 15.052 -7.221 1.00 0.00 C ATOM 612 OE1 GLU A 39 7.265 14.448 -8.273 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.658 15.620 -7.042 1.00 0.00 O ATOM 0 H GLU A 39 4.798 12.035 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 39 5.244 14.665 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.806 13.031 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.380 13.369 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.715 15.758 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.990 15.537 -5.216 1.00 0.00 H new ATOM 620 N MET A 40 2.834 14.573 -4.572 1.00 0.00 N ATOM 621 CA MET A 40 1.406 14.522 -4.880 1.00 0.00 C ATOM 622 C MET A 40 1.171 14.216 -6.349 1.00 0.00 C ATOM 623 O MET A 40 0.211 13.528 -6.695 1.00 0.00 O ATOM 624 CB MET A 40 0.728 15.841 -4.502 1.00 0.00 C ATOM 625 CG MET A 40 0.897 16.214 -3.038 1.00 0.00 C ATOM 626 SD MET A 40 2.113 17.522 -2.787 1.00 0.00 S ATOM 627 CE MET A 40 1.272 18.540 -1.576 1.00 0.00 C ATOM 0 H MET A 40 3.140 15.437 -4.125 1.00 0.00 H new ATOM 0 HA MET A 40 0.967 13.717 -4.290 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.136 16.640 -5.121 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.336 15.772 -4.730 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.064 16.535 -2.636 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.199 15.331 -2.475 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.900 19.393 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.329 18.896 -1.992 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.074 17.951 -0.680 1.00 0.00 H new ATOM 637 N ASP A 41 2.056 14.702 -7.215 1.00 0.00 N ATOM 638 CA ASP A 41 1.927 14.437 -8.643 1.00 0.00 C ATOM 639 C ASP A 41 1.763 12.939 -8.853 1.00 0.00 C ATOM 640 O ASP A 41 1.007 12.490 -9.714 1.00 0.00 O ATOM 641 CB ASP A 41 3.153 14.951 -9.400 1.00 0.00 C ATOM 642 CG ASP A 41 2.786 15.941 -10.490 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.229 17.008 -10.159 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.058 15.648 -11.673 1.00 0.00 O ATOM 0 H ASP A 41 2.860 15.274 -6.957 1.00 0.00 H new ATOM 0 HA ASP A 41 1.052 14.959 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.838 15.426 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.684 14.108 -9.842 1.00 0.00 H new ATOM 649 N GLN A 42 2.465 12.175 -8.024 1.00 0.00 N ATOM 650 CA GLN A 42 2.394 10.726 -8.065 1.00 0.00 C ATOM 651 C GLN A 42 1.232 10.235 -7.206 1.00 0.00 C ATOM 652 O GLN A 42 0.621 9.207 -7.499 1.00 0.00 O ATOM 653 CB GLN A 42 3.708 10.113 -7.576 1.00 0.00 C ATOM 654 CG GLN A 42 4.944 10.748 -8.196 1.00 0.00 C ATOM 655 CD GLN A 42 6.042 11.000 -7.181 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.801 10.991 -5.974 1.00 0.00 O ATOM 657 NE2 GLN A 42 7.256 11.226 -7.667 1.00 0.00 N ATOM 0 H GLN A 42 3.094 12.543 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 42 2.228 10.413 -9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.764 10.212 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.707 9.046 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.325 10.098 -8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.666 11.691 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.410 11.224 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.035 11.402 -7.032 1.00 0.00 H new ATOM 666 N ILE A 43 0.936 10.977 -6.136 1.00 0.00 N ATOM 667 CA ILE A 43 -0.148 10.612 -5.229 1.00 0.00 C ATOM 668 C ILE A 43 -1.499 10.633 -5.936 1.00 0.00 C ATOM 669 O ILE A 43 -2.217 9.635 -5.955 1.00 0.00 O ATOM 670 CB ILE A 43 -0.202 11.544 -3.998 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.167 11.626 -3.322 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.242 11.054 -3.004 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.201 12.556 -2.129 1.00 0.00 C ATOM 0 H ILE A 43 1.432 11.831 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 43 0.061 9.597 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.483 12.540 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.465 10.628 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.904 11.959 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.266 11.723 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.222 11.040 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.984 10.047 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.204 12.563 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.935 13.564 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.489 12.212 -1.379 1.00 0.00 H new ATOM 685 N LEU A 44 -1.832 11.771 -6.519 1.00 0.00 N ATOM 686 CA LEU A 44 -3.098 11.928 -7.230 1.00 0.00 C ATOM 687 C LEU A 44 -3.179 10.985 -8.426 1.00 0.00 C ATOM 688 O LEU A 44 -4.250 10.474 -8.752 1.00 0.00 O ATOM 689 CB LEU A 44 -3.290 13.390 -7.665 1.00 0.00 C ATOM 690 CG LEU A 44 -2.850 13.739 -9.092 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.425 15.082 -9.512 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.333 13.756 -9.193 1.00 0.00 C ATOM 0 H LEU A 44 -1.245 12.605 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.907 11.664 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.345 13.642 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.741 14.028 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.232 12.973 -9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.103 15.314 -10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.514 15.038 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.071 15.858 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.039 14.005 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.931 14.501 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.940 12.773 -8.932 1.00 0.00 H new ATOM 704 N GLU A 45 -2.041 10.748 -9.070 1.00 0.00 N ATOM 705 CA GLU A 45 -1.992 9.854 -10.222 1.00 0.00 C ATOM 706 C GLU A 45 -2.473 8.459 -9.836 1.00 0.00 C ATOM 707 O GLU A 45 -2.897 7.678 -10.688 1.00 0.00 O ATOM 708 CB GLU A 45 -0.571 9.782 -10.778 1.00 0.00 C ATOM 709 CG GLU A 45 -0.514 9.506 -12.271 1.00 0.00 C ATOM 710 CD GLU A 45 -0.047 10.707 -13.071 1.00 0.00 C ATOM 711 OE1 GLU A 45 -0.744 11.744 -13.045 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.014 10.611 -13.721 1.00 0.00 O ATOM 0 H GLU A 45 -1.144 11.160 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.652 10.251 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.061 10.723 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.023 9.000 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.158 8.668 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.502 9.205 -12.619 1.00 0.00 H new ATOM 719 N ALA A 46 -2.413 8.160 -8.541 1.00 0.00 N ATOM 720 CA ALA A 46 -2.848 6.871 -8.032 1.00 0.00 C ATOM 721 C ALA A 46 -4.366 6.813 -7.971 1.00 0.00 C ATOM 722 O ALA A 46 -4.969 5.772 -8.225 1.00 0.00 O ATOM 723 CB ALA A 46 -2.250 6.620 -6.657 1.00 0.00 C ATOM 0 H ALA A 46 -2.065 8.799 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.500 6.091 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.584 5.651 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.162 6.627 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.575 7.402 -5.971 1.00 0.00 H new ATOM 729 N GLY A 47 -4.979 7.948 -7.643 1.00 0.00 N ATOM 730 CA GLY A 47 -6.423 8.005 -7.569 1.00 0.00 C ATOM 731 C GLY A 47 -6.951 8.252 -6.167 1.00 0.00 C ATOM 732 O GLY A 47 -8.146 8.486 -5.990 1.00 0.00 O ATOM 0 H GLY A 47 -4.501 8.823 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.781 8.796 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.835 7.068 -7.943 1.00 0.00 H new ATOM 736 N LEU A 48 -6.074 8.203 -5.166 1.00 0.00 N ATOM 737 CA LEU A 48 -6.508 8.430 -3.789 1.00 0.00 C ATOM 738 C LEU A 48 -6.793 9.906 -3.532 1.00 0.00 C ATOM 739 O LEU A 48 -6.213 10.787 -4.166 1.00 0.00 O ATOM 740 CB LEU A 48 -5.483 7.904 -2.764 1.00 0.00 C ATOM 741 CG LEU A 48 -4.015 8.324 -2.936 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.197 7.182 -3.514 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.867 9.580 -3.782 1.00 0.00 C ATOM 0 H LEU A 48 -5.078 8.012 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.433 7.867 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.808 8.221 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.523 6.815 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.631 8.564 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.160 7.499 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.243 6.325 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.600 6.902 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.811 9.835 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.285 9.402 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.399 10.404 -3.306 1.00 0.00 H new ATOM 755 N THR A 49 -7.690 10.163 -2.588 1.00 0.00 N ATOM 756 CA THR A 49 -8.058 11.526 -2.228 1.00 0.00 C ATOM 757 C THR A 49 -7.490 11.893 -0.863 1.00 0.00 C ATOM 758 O THR A 49 -7.353 13.069 -0.527 1.00 0.00 O ATOM 759 CB THR A 49 -9.587 11.713 -2.209 1.00 0.00 C ATOM 760 OG1 THR A 49 -10.216 10.553 -1.652 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.119 11.960 -3.612 1.00 0.00 C ATOM 0 H THR A 49 -8.178 9.442 -2.056 1.00 0.00 H new ATOM 0 HA THR A 49 -7.636 12.184 -2.988 1.00 0.00 H new ATOM 0 HB THR A 49 -9.817 12.582 -1.592 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.188 10.681 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.201 12.089 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.661 12.860 -4.022 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.878 11.108 -4.248 1.00 0.00 H new ATOM 769 N ALA A 50 -7.154 10.871 -0.089 1.00 0.00 N ATOM 770 CA ALA A 50 -6.590 11.058 1.238 1.00 0.00 C ATOM 771 C ALA A 50 -5.075 11.199 1.156 1.00 0.00 C ATOM 772 O ALA A 50 -4.515 11.310 0.065 1.00 0.00 O ATOM 773 CB ALA A 50 -6.967 9.888 2.131 1.00 0.00 C ATOM 0 H ALA A 50 -7.264 9.894 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.997 11.973 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.541 10.036 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.052 9.824 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.579 8.964 1.703 1.00 0.00 H new ATOM 779 N LEU A 51 -4.412 11.203 2.307 1.00 0.00 N ATOM 780 CA LEU A 51 -2.963 11.341 2.336 1.00 0.00 C ATOM 781 C LEU A 51 -2.258 9.991 2.179 1.00 0.00 C ATOM 782 O LEU A 51 -1.696 9.706 1.122 1.00 0.00 O ATOM 783 CB LEU A 51 -2.510 12.041 3.620 1.00 0.00 C ATOM 784 CG LEU A 51 -2.313 13.553 3.497 1.00 0.00 C ATOM 785 CD1 LEU A 51 -3.615 14.290 3.779 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.215 14.023 4.441 1.00 0.00 C ATOM 0 H LEU A 51 -4.851 11.113 3.223 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.679 11.959 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.246 11.848 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.572 11.593 3.949 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.010 13.779 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.453 15.364 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.374 13.975 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.952 14.060 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.087 15.101 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.491 13.783 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.280 13.522 4.190 1.00 0.00 H new ATOM 798 N PRO A 52 -2.267 9.140 3.222 1.00 0.00 N ATOM 799 CA PRO A 52 -1.614 7.827 3.170 1.00 0.00 C ATOM 800 C PRO A 52 -2.279 6.880 2.175 1.00 0.00 C ATOM 801 O PRO A 52 -2.814 5.839 2.557 1.00 0.00 O ATOM 802 CB PRO A 52 -1.761 7.293 4.599 1.00 0.00 C ATOM 803 CG PRO A 52 -2.932 8.022 5.157 1.00 0.00 C ATOM 804 CD PRO A 52 -2.900 9.387 4.529 1.00 0.00 C ATOM 0 HA PRO A 52 -0.580 7.906 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.926 6.216 4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.862 7.480 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.863 7.505 4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.870 8.089 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.901 9.804 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.325 10.093 5.128 1.00 0.00 H new ATOM 812 N GLY A 53 -2.236 7.241 0.896 1.00 0.00 N ATOM 813 CA GLY A 53 -2.830 6.406 -0.127 1.00 0.00 C ATOM 814 C GLY A 53 -1.885 5.320 -0.591 1.00 0.00 C ATOM 815 O GLY A 53 -0.677 5.535 -0.681 1.00 0.00 O ATOM 0 H GLY A 53 -1.800 8.097 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.742 5.952 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.118 7.024 -0.978 1.00 0.00 H new ATOM 819 N LEU A 54 -2.436 4.153 -0.886 1.00 0.00 N ATOM 820 CA LEU A 54 -1.638 3.030 -1.348 1.00 0.00 C ATOM 821 C LEU A 54 -2.310 2.365 -2.537 1.00 0.00 C ATOM 822 O LEU A 54 -3.351 1.725 -2.394 1.00 0.00 O ATOM 823 CB LEU A 54 -1.440 2.011 -0.225 1.00 0.00 C ATOM 824 CG LEU A 54 -0.272 1.044 -0.426 1.00 0.00 C ATOM 825 CD1 LEU A 54 0.432 0.771 0.896 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.759 -0.255 -1.050 1.00 0.00 C ATOM 0 H LEU A 54 -3.435 3.959 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.661 3.405 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.289 2.549 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.357 1.432 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 54 0.444 1.506 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.260 0.081 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.815 1.706 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.274 0.330 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.084 -0.932 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.495 -0.720 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.216 -0.045 -2.017 1.00 0.00 H new ATOM 838 N ALA A 55 -1.719 2.523 -3.713 1.00 0.00 N ATOM 839 CA ALA A 55 -2.286 1.934 -4.916 1.00 0.00 C ATOM 840 C ALA A 55 -1.597 0.622 -5.254 1.00 0.00 C ATOM 841 O ALA A 55 -0.379 0.570 -5.421 1.00 0.00 O ATOM 842 CB ALA A 55 -2.187 2.902 -6.082 1.00 0.00 C ATOM 0 H ALA A 55 -0.857 3.048 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.339 1.726 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.616 2.444 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.733 3.815 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.140 3.143 -6.267 1.00 0.00 H new ATOM 848 N VAL A 56 -2.387 -0.440 -5.349 1.00 0.00 N ATOM 849 CA VAL A 56 -1.858 -1.756 -5.662 1.00 0.00 C ATOM 850 C VAL A 56 -2.387 -2.262 -6.988 1.00 0.00 C ATOM 851 O VAL A 56 -3.563 -2.093 -7.308 1.00 0.00 O ATOM 852 CB VAL A 56 -2.184 -2.783 -4.566 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.070 -2.807 -3.539 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.525 -2.480 -3.912 1.00 0.00 C ATOM 0 H VAL A 56 -3.398 -0.413 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.776 -1.643 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.261 -3.770 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.305 -3.536 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.134 -3.082 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.969 -1.819 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.730 -3.223 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.494 -1.488 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.313 -2.512 -4.665 1.00 0.00 H new ATOM 864 N ASP A 57 -1.503 -2.878 -7.761 1.00 0.00 N ATOM 865 CA ASP A 57 -1.866 -3.409 -9.075 1.00 0.00 C ATOM 866 C ASP A 57 -2.680 -2.380 -9.862 1.00 0.00 C ATOM 867 O ASP A 57 -3.500 -2.737 -10.709 1.00 0.00 O ATOM 868 CB ASP A 57 -2.663 -4.717 -8.942 1.00 0.00 C ATOM 869 CG ASP A 57 -2.863 -5.155 -7.501 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.867 -5.200 -6.750 1.00 0.00 O ATOM 871 OD2 ASP A 57 -4.017 -5.455 -7.126 1.00 0.00 O ATOM 0 H ASP A 57 -0.527 -3.024 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.944 -3.621 -9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.637 -4.590 -9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.145 -5.507 -9.486 1.00 0.00 H new ATOM 876 N GLY A 58 -2.449 -1.102 -9.568 1.00 0.00 N ATOM 877 CA GLY A 58 -3.167 -0.038 -10.246 1.00 0.00 C ATOM 878 C GLY A 58 -4.590 0.109 -9.745 1.00 0.00 C ATOM 879 O GLY A 58 -5.493 0.437 -10.514 1.00 0.00 O ATOM 0 H GLY A 58 -1.776 -0.785 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.636 0.903 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.181 -0.238 -11.317 1.00 0.00 H new ATOM 883 N GLU A 59 -4.789 -0.137 -8.455 1.00 0.00 N ATOM 884 CA GLU A 59 -6.113 -0.035 -7.855 1.00 0.00 C ATOM 885 C GLU A 59 -6.021 0.368 -6.388 1.00 0.00 C ATOM 886 O GLU A 59 -5.738 -0.461 -5.522 1.00 0.00 O ATOM 887 CB GLU A 59 -6.859 -1.364 -7.986 1.00 0.00 C ATOM 888 CG GLU A 59 -8.348 -1.204 -8.247 1.00 0.00 C ATOM 889 CD GLU A 59 -8.838 -2.078 -9.385 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.155 -2.134 -10.429 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.906 -2.707 -9.232 1.00 0.00 O ATOM 0 H GLU A 59 -4.051 -0.408 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.665 0.739 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.416 -1.941 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.719 -1.941 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.901 -1.451 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.563 -0.160 -8.477 1.00 0.00 H new ATOM 898 N LEU A 60 -6.267 1.647 -6.116 1.00 0.00 N ATOM 899 CA LEU A 60 -6.221 2.172 -4.750 1.00 0.00 C ATOM 900 C LEU A 60 -6.959 1.252 -3.781 1.00 0.00 C ATOM 901 O LEU A 60 -8.097 0.855 -4.032 1.00 0.00 O ATOM 902 CB LEU A 60 -6.827 3.576 -4.702 1.00 0.00 C ATOM 903 CG LEU A 60 -5.862 4.680 -4.265 1.00 0.00 C ATOM 904 CD1 LEU A 60 -5.249 4.349 -2.912 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.776 4.882 -5.314 1.00 0.00 C ATOM 0 H LEU A 60 -6.501 2.343 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.176 2.222 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.214 3.823 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.677 3.566 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.421 5.610 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.566 5.145 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.040 4.256 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.702 3.409 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.098 5.671 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.218 3.954 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.234 5.166 -6.262 1.00 0.00 H new ATOM 917 N LYS A 61 -6.300 0.915 -2.678 1.00 0.00 N ATOM 918 CA LYS A 61 -6.892 0.037 -1.677 1.00 0.00 C ATOM 919 C LYS A 61 -7.040 0.738 -0.327 1.00 0.00 C ATOM 920 O LYS A 61 -7.818 0.298 0.520 1.00 0.00 O ATOM 921 CB LYS A 61 -6.046 -1.227 -1.514 1.00 0.00 C ATOM 922 CG LYS A 61 -6.854 -2.451 -1.113 1.00 0.00 C ATOM 923 CD LYS A 61 -6.227 -3.731 -1.642 1.00 0.00 C ATOM 924 CE LYS A 61 -6.886 -4.180 -2.937 1.00 0.00 C ATOM 925 NZ LYS A 61 -7.026 -5.660 -3.004 1.00 0.00 N ATOM 0 H LYS A 61 -5.358 1.236 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.888 -0.234 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.531 -1.433 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.278 -1.046 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.925 -2.501 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.871 -2.358 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.162 -3.573 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.318 -4.518 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.869 -3.718 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.295 -3.832 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.479 -5.926 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.086 -6.101 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.611 -5.990 -2.210 1.00 0.00 H new ATOM 939 N ILE A 62 -6.296 1.823 -0.121 1.00 0.00 N ATOM 940 CA ILE A 62 -6.371 2.553 1.145 1.00 0.00 C ATOM 941 C ILE A 62 -6.202 4.056 0.948 1.00 0.00 C ATOM 942 O ILE A 62 -5.420 4.500 0.108 1.00 0.00 O ATOM 943 CB ILE A 62 -5.311 2.058 2.148 1.00 0.00 C ATOM 944 CG1 ILE A 62 -3.904 2.261 1.584 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.546 0.594 2.493 1.00 0.00 C ATOM 946 CD1 ILE A 62 -3.020 3.120 2.460 1.00 0.00 C ATOM 0 H ILE A 62 -5.644 2.212 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.366 2.360 1.547 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.401 2.644 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.432 1.288 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.979 2.719 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.788 0.261 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.535 0.479 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.484 -0.008 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.038 3.221 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.470 4.106 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.914 2.653 3.439 1.00 0.00 H new ATOM 958 N MET A 63 -6.945 4.835 1.732 1.00 0.00 N ATOM 959 CA MET A 63 -6.884 6.291 1.651 1.00 0.00 C ATOM 960 C MET A 63 -7.089 6.936 3.019 1.00 0.00 C ATOM 961 O MET A 63 -8.169 6.834 3.602 1.00 0.00 O ATOM 962 CB MET A 63 -7.946 6.806 0.680 1.00 0.00 C ATOM 963 CG MET A 63 -7.472 6.851 -0.760 1.00 0.00 C ATOM 964 SD MET A 63 -8.579 5.984 -1.891 1.00 0.00 S ATOM 965 CE MET A 63 -8.619 4.354 -1.149 1.00 0.00 C ATOM 0 H MET A 63 -7.597 4.480 2.431 1.00 0.00 H new ATOM 0 HA MET A 63 -5.892 6.562 1.290 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.828 6.168 0.745 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.253 7.806 0.985 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.380 7.891 -1.075 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.477 6.410 -0.824 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.319 3.723 -1.696 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.624 3.911 -1.189 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.938 4.435 -0.110 1.00 0.00 H new ATOM 975 N GLY A 64 -6.059 7.612 3.525 1.00 0.00 N ATOM 976 CA GLY A 64 -6.178 8.270 4.815 1.00 0.00 C ATOM 977 C GLY A 64 -6.408 7.303 5.955 1.00 0.00 C ATOM 978 O GLY A 64 -6.774 7.710 7.058 1.00 0.00 O ATOM 0 H GLY A 64 -5.152 7.715 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.271 8.842 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.003 8.982 4.778 1.00 0.00 H new ATOM 982 N ARG A 65 -6.193 6.023 5.695 1.00 0.00 N ATOM 983 CA ARG A 65 -6.380 5.000 6.714 1.00 0.00 C ATOM 984 C ARG A 65 -5.764 3.680 6.273 1.00 0.00 C ATOM 985 O ARG A 65 -6.399 2.889 5.577 1.00 0.00 O ATOM 986 CB ARG A 65 -7.870 4.810 7.009 1.00 0.00 C ATOM 987 CG ARG A 65 -8.188 4.724 8.493 1.00 0.00 C ATOM 988 CD ARG A 65 -8.657 6.063 9.040 1.00 0.00 C ATOM 989 NE ARG A 65 -9.752 5.911 9.994 1.00 0.00 N ATOM 990 CZ ARG A 65 -10.954 5.434 9.675 1.00 0.00 C ATOM 991 NH1 ARG A 65 -11.220 5.064 8.428 1.00 0.00 N ATOM 992 NH2 ARG A 65 -11.892 5.326 10.607 1.00 0.00 N ATOM 0 H ARG A 65 -5.889 5.667 4.789 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.878 5.330 7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.427 5.640 6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.216 3.901 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.959 3.972 8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.302 4.397 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.822 6.569 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.980 6.698 8.215 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.587 6.186 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.502 5.144 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.142 4.699 8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.692 5.608 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.813 4.961 10.364 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.523 3.444 6.685 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.832 2.216 6.330 1.00 0.00 C ATOM 1008 C VAL A 66 -4.594 1.005 6.870 1.00 0.00 C ATOM 1009 O VAL A 66 -4.892 0.931 8.062 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.378 2.213 6.867 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.914 0.810 7.241 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.437 2.819 5.840 1.00 0.00 C ATOM 0 H VAL A 66 -3.979 4.086 7.262 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.791 2.157 5.242 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.361 2.819 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.890 0.852 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.565 0.406 8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.954 0.167 6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.419 2.811 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.478 2.236 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.738 3.846 5.632 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.909 0.063 5.988 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.639 -1.135 6.384 1.00 0.00 C ATOM 1024 C ALA A 67 -4.827 -1.972 7.366 1.00 0.00 C ATOM 1025 O ALA A 67 -3.606 -2.078 7.246 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.004 -1.960 5.157 1.00 0.00 C ATOM 0 H ALA A 67 -4.671 0.106 4.997 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.556 -0.824 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.549 -2.852 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.630 -1.365 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.095 -2.254 4.633 1.00 0.00 H new ATOM 1032 N SER A 68 -5.512 -2.565 8.338 1.00 0.00 N ATOM 1033 CA SER A 68 -4.852 -3.393 9.341 1.00 0.00 C ATOM 1034 C SER A 68 -4.296 -4.667 8.714 1.00 0.00 C ATOM 1035 O SER A 68 -4.598 -4.988 7.565 1.00 0.00 O ATOM 1036 CB SER A 68 -5.829 -3.747 10.464 1.00 0.00 C ATOM 1037 OG SER A 68 -7.160 -3.811 9.981 1.00 0.00 O ATOM 0 H SER A 68 -6.523 -2.488 8.453 1.00 0.00 H new ATOM 0 HA SER A 68 -4.022 -2.823 9.758 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.552 -4.705 10.903 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.762 -3.002 11.257 1.00 0.00 H new ATOM 0 HG SER A 68 -7.765 -4.040 10.717 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.482 -5.390 9.477 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.883 -6.630 8.995 1.00 0.00 C ATOM 1045 C LYS A 69 -3.958 -7.635 8.591 1.00 0.00 C ATOM 1046 O LYS A 69 -3.912 -8.202 7.500 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.981 -7.237 10.071 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.562 -6.691 10.050 1.00 0.00 C ATOM 1049 CD LYS A 69 0.458 -7.791 9.799 1.00 0.00 C ATOM 1050 CE LYS A 69 0.961 -8.392 11.102 1.00 0.00 C ATOM 1051 NZ LYS A 69 0.032 -9.430 11.630 1.00 0.00 N ATOM 0 H LYS A 69 -3.222 -5.139 10.431 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.283 -6.395 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.420 -7.049 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.948 -8.318 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.476 -5.930 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.345 -6.203 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.009 -8.572 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.299 -7.387 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.945 -8.833 10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.082 -7.602 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.411 -9.815 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.900 -9.004 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.064 -10.197 10.934 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.925 -7.849 9.478 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.011 -8.784 9.213 1.00 0.00 C ATOM 1067 C GLU A 70 -6.828 -8.342 8.003 1.00 0.00 C ATOM 1068 O GLU A 70 -7.293 -9.170 7.219 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.917 -8.906 10.440 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.339 -10.334 10.745 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.357 -11.051 11.649 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -5.733 -10.380 12.500 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.210 -12.283 11.509 1.00 0.00 O ATOM 0 H GLU A 70 -4.978 -7.387 10.386 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.573 -9.758 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.398 -8.496 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.808 -8.298 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.322 -10.326 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.438 -10.887 9.811 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.000 -7.032 7.858 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.762 -6.480 6.744 1.00 0.00 C ATOM 1082 C GLU A 71 -7.153 -6.896 5.408 1.00 0.00 C ATOM 1083 O GLU A 71 -7.854 -7.377 4.517 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.814 -4.955 6.841 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.094 -4.353 6.285 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.623 -3.217 7.139 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.217 -2.059 6.906 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.445 -3.486 8.041 1.00 0.00 O ATOM 0 H GLU A 71 -6.622 -6.333 8.498 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.776 -6.876 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.708 -4.662 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.963 -4.536 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.910 -3.988 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.854 -5.131 6.210 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.845 -6.707 5.275 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.142 -7.063 4.049 1.00 0.00 C ATOM 1097 C ILE A 72 -5.271 -8.556 3.758 1.00 0.00 C ATOM 1098 O ILE A 72 -5.697 -8.952 2.675 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.648 -6.691 4.127 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.485 -5.212 4.484 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.950 -7.000 2.809 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -4.026 -4.274 3.429 1.00 0.00 C ATOM 0 H ILE A 72 -5.250 -6.309 6.002 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.605 -6.496 3.242 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.184 -7.290 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.993 -5.016 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.428 -4.999 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.896 -6.731 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.038 -8.064 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.415 -6.426 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.877 -3.243 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.501 -4.442 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.091 -4.460 3.288 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.898 -9.378 4.733 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.970 -10.828 4.583 1.00 0.00 C ATOM 1116 C LYS A 73 -6.389 -11.275 4.247 1.00 0.00 C ATOM 1117 O LYS A 73 -6.590 -12.180 3.436 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.496 -11.517 5.865 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.000 -12.937 5.643 1.00 0.00 C ATOM 1120 CD LYS A 73 -2.712 -13.206 6.406 1.00 0.00 C ATOM 1121 CE LYS A 73 -2.666 -14.628 6.939 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.186 -14.717 8.332 1.00 0.00 N ATOM 0 H LYS A 73 -4.542 -9.065 5.636 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.316 -11.114 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.695 -10.927 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.316 -11.535 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.766 -13.644 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.834 -13.103 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.858 -13.034 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.625 -12.503 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.253 -15.278 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.639 -14.993 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.137 -15.703 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.610 -14.117 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.174 -14.393 8.355 1.00 0.00 H new